1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol

C14H24O — CID 70605401

IUPAC1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)C1C2CCC(C2)C1(C)C
InChIInChI=1S/C14H24O/c1-5-9(2)13(15)12-10-6-7-11(8-10)14(12,3)4/h5,9-13,15H,1,6-8H2,2-4H3
InChIKeyBIFDQYUHPWMQMF-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.24
Rot. Bonds3

About 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol

1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol (PubChem CID 70605401) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol
PubChem CID70605401
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)C1C2CCC(C2)C1(C)C
InChIInChI=1S/C14H24O/c1-5-9(2)13(15)12-10-6-7-11(8-10)14(12,3)4/h5,9-13,15H,1,6-8H2,2-4H3
InChIKeyBIFDQYUHPWMQMF-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol?
The IUPAC name of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol (CID 70605401) is 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol?
The canonical SMILES for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol is C=CC(C)C(O)C1C2CCC(C2)C1(C)C.
What is the InChIKey of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol?
The InChIKey is BIFDQYUHPWMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-9(2)13(15)12-10-6-7-11(8-10)14(12,3)4/h5,9-13,15H,1,6-8H2,2-4H3.
What are the key properties of 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol?
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 70605401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).